%chk=000062593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062593

0 1
 O    3.842000      -2.782600     -7.8999996E-03
 O   -4.992600       1.012300      -1.909100    
 N    2.219800      -1.351300     -0.9387000    
 N   -4.559800     -0.3769000     -5.6200001E-02
 C   0.9184000     -0.3848000       1.443400    
 C    1.793800      0.4988000      0.5777000    
 C  -0.5201000     -0.3830000       1.049800    
 C    2.396200     -1.5699999E-02 -0.5569000    
 C  -0.9904000      -1.311800      0.1216000    
 C   -1.395300      0.5477000       1.609800    
 C    1.967900       1.819500      0.9548000    
 C    3.197900      0.8158000      -1.339000    
 C   -2.335800      -1.310000     -0.2466000    
 C   -2.740700      0.5495000       1.241600    
 C    2.769500       2.651100      0.1728000    
 C   -3.210900     -0.3792000      0.3133000    
 C    3.384400       2.149100     -0.9741000    
 C    3.031700      -2.067100     -0.4726000    
 C   -4.776200      0.3186000     -0.9837000    
 H    1.008100     -5.5300001E-02   2.489100    
 H    1.296900      -1.413200       1.482900    
 H  -0.3288000      -2.053400     -0.3155000    
 H   -1.043400       1.276500       2.335200    
 H    1.494800       2.221900       1.845900    
 H    3.680600      0.4374000      -2.236500    
 H   -2.692000      -2.041800     -0.9672000    
 H   -3.413800       1.278100       1.686400    
 H    2.914800       3.689300      0.4567000    
 H    4.008100       2.796800      -1.583400    


%chk=000062593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062593

0 1
O 3.134209 -3.844488 -0.532845
O -6.733692 0.043949 -1.199346
N 2.933936 -1.431533 -0.337380
N -4.453781 -0.072732 -0.369941
C 0.978377 -0.283317 1.541486
C 1.927780 0.550356 0.681990
C -0.466525 -0.239420 1.044548
C 2.855172 -0.048611 -0.222104
C -0.832257 -0.861458 -0.177739
C -1.470459 0.436452 1.782035
C 1.895646 1.964600 0.751325
C 3.717315 0.752720 -1.019131
C -2.155793 -0.812913 -0.653097
C -2.802239 0.498537 1.321249
C 2.747242 2.767086 -0.036238
C -3.150434 -0.127789 0.096423
C 3.662234 2.156511 -0.925342
C 3.042809 -2.630224 -0.429486
C -5.589337 -0.024762 -0.776267
H 1.011151 0.092673 2.580087
H 1.332437 -1.328936 1.570076
H -0.072708 -1.389626 -0.765953
H -1.210588 0.917044 2.733183
H 1.181938 2.440369 1.434324
H 4.418340 0.262411 -1.701347
H -2.431380 -1.298123 -1.594683
H -3.572265 1.020851 1.897434
H 2.698869 3.858165 0.041544
H 4.329102 2.768506 -1.541206


